1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione

C19H23NO2 — CID 121186913

IUPAC1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCC(=C2CC2)CC1)c1ccccc1
InChIInChI=1S/C19H23NO2/c21-18(17-5-2-1-3-6-17)7-4-8-19(22)20-13-11-16(12-14-20)15-9-10-15/h1-3,5-6H,4,7-14H2
InChIKeyATEKDFSFDVWUGF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione

1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione (PubChem CID 121186913) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione
PubChem CID121186913
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCC(=C2CC2)CC1)c1ccccc1
InChIInChI=1S/C19H23NO2/c21-18(17-5-2-1-3-6-17)7-4-8-19(22)20-13-11-16(12-14-20)15-9-10-15/h1-3,5-6H,4,7-14H2
InChIKeyATEKDFSFDVWUGF-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
1-phenyl-5-[4-(triazol-2-yl)piperidin-1-yl]pentane-1,5-dione
CID 121164859
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
1-(4-cyclopropylidenepiperidin-1-yl)-3-phenylsulfanylpropan-1-one
CID 121186879
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 4167422
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-[3-(dimethylamino)azepan-1-yl]-5-phenylpentane-1,5-dione
CID 78087224
5-oxo-5-phenylpentanamide
CID 3787245
1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione
CID 91004491
1-phenyl-5-[2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]pentane-1,5-dione
CID 90653809
1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 108736956
5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 27396946

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione?
The IUPAC name of 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione (CID 121186913) is 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione.
What is the SMILES notation for 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione?
The canonical SMILES for 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione is O=C(CCCC(=O)N1CCC(=C2CC2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione?
The InChIKey is ATEKDFSFDVWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18(17-5-2-1-3-6-17)7-4-8-19(22)20-13-11-16(12-14-20)15-9-10-15/h1-3,5-6H,4,7-14H2.
What are the key properties of 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione?
1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione has a molecular weight of 297.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione is sourced from PubChem (CID 121186913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).